SCHEMBL1099248

SCHEMBL1099248

COc1cccc(Cn2c(C(=O)Nc3ccc(N4CC(O)C4)nc3)cc3cccnc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43
DGAT1 O75907 5/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PKM P14618 1/20 0.42
F10 P00742 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.40
THRB P10828 2/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.40
ENPP2 Q13822 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL1100882 0.95 ROCK2 (0.40) ROCK2DGAT1MEN1KMT2AMAPT
SCHEMBL1101587 0.92 RAB9A (0.44) MEN1KMT2AMAPTHSD17B10LMNA
SCHEMBL1099159 0.91 DGAT1 (0.47) ROCK2DGAT1MEN1KMT2AMAPT
SCHEMBL1099735 0.90 ABL1 (0.44)
SCHEMBL1099629 0.90 GAA (0.45) DGAT1MAPTF10LMNATHRB
SCHEMBL1101586 0.89 DGAT1 (0.42) ROCK2DGAT1MEN1KMT2AMAPT
SCHEMBL1100473 0.89 CNR1 (0.45) DGAT1MEN1KMT2AF10CYP1A2
SCHEMBL1100883 0.88 DGAT1 (0.40) ROCK2DGAT1MEN1KMT2AMAPT
SCHEMBL1100738 0.88 TRPV1 (0.45) DGAT1F10ALDH1A1KDM4EHPGD
SCHEMBL1099925 0.87 KDM4E (0.46) ROCK2DGAT1MEN1KMT2AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716273-B2 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI (FR) 2014-05-06 US disclosed
US-8716272-B2 N-(amino-heteroaryI)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI (FR) 2014-05-06 US disclosed
EP-2125811-B1 N-(AMINO-HETEROARYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDES DERIVATIVES, PREPARATION THEREOF AND THEIR USE IN THERAPY SANOFI SA (FR) 2013-05-29 EP disclosed
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2012-06-07 US disclosed
US-20120142670-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2012-06-07 US disclosed
US-8153650-B2 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2012-04-10 US disclosed
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2010-02-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120142670-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 ROCK2 424/4885DGAT1 3777/4885MEN1 2427/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 ROCK2 424/4885DGAT1 3777/4885MEN1 2427/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 ROCK2 424/4885DGAT1 3777/4885MEN1 2427/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.